methyl 4-diethoxyphosphoryl-2-methyl-5-oxidanylidene-1-(phenylcarbamoylamino)-4-prop-2-ynyl-pyrrole-3-carboxylate

Systemtic Name: methyl 4-diethoxyphosphoryl-2-methyl-5-oxidanylidene-1-(phenylcarbamoylamino)-4-prop-2-ynyl-pyrrole-3-carboxylate Openeye Name: methyl 4-diethoxyphosphoryl-2-methyl-5-oxo-1-(phenylcarbamoylamino)-4-prop-2-ynyl-pyrrole-3-carboxylate CAS Name: 1-[[anilino(oxo)methyl]amino]-4-diethoxyphosphoryl-2-methyl-5-oxo-4-prop-2-ynyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-diethoxyphosphoryl-2-methyl-5-oxo-1-(phenylcarbamoylamino)-4-prop-2-ynylpyrrole-3-carboxylate Traditional Name: 4-diethoxyphosphoryl-5-keto-2-methyl-1-(phenylcarbamoylamino)-4-propargyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C21H26N3O7P MolecularWeight: 463.420801

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1(C(=C(N(C1=O)NC(=O)NC2=CC=CC=C2)C)C(=O)OC)CC#C)OCC

Isomeric SMILES

CCOP(=O)(C1(C(=C(N(C1=O)NC(=O)NC2=CC=CC=C2)C)C(=O)OC)CC#C)OCC

InChI

InChI=1S/C21H26N3O7P/c1-6-14-21(32(28,30-7-2)31-8-3)17(18(25)29-5)15(4)24(19(21)26)23-20(27)22-16-12-10-9-11-13-16/h1,9-13H,7-8,14H2,2-5H3,(H2,22,23,27)